SCHEMBL7294064

SCHEMBL7294064

COc1cccc(CCc2c(CCNCCCCNCCc3ccccc3)ccc(OC)c2OC)c1

nearest known ligand 0.96

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 4/20 0.96
BCHE P06276 4/20 0.54
HTR2A P28223 4/20 0.48
ABCB1 P08183 2/20 0.48
ABCG2 Q9UNQ0 1/20 0.48
CHRM2 P08172 2/20 0.48
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7295425 0.99 SLC2A1 (0.98) SLC2A1BCHEHTR2AABCB1ABCG2
Hydrochloric Acid SCHEMBL10382502 0.99 SLC2A1 (0.98) SLC2A1BCHEHTR2AABCB1ABCG2
Hydrochloric Acid SCHEMBL7501183 0.98 SLC2A1 (1.00) SLC2A1BCHEHTR2AABCB1ABCG2
Hydrochloric Acid SCHEMBL7284944 0.98 SLC2A1 (1.00) SLC2A1BCHEHTR2AABCB1ABCG2
Hydrochloric Acid SCHEMBL7434415 0.98 SLC2A1 (1.00) SLC2A1BCHEHTR2AABCB1ABCG2
Hydrochloric Acid SCHEMBL10383816 0.98 SLC2A1 (1.00) SLC2A1BCHEHTR2AABCB1ABCG2
Hydrochloric Acid SCHEMBL7446538 0.98 SLC2A1 (1.00) SLC2A1BCHEHTR2AABCB1ABCG2
Hydrochloric Acid SCHEMBL7286739 0.95 SLC2A1 (0.94) SLC2A1BCHEHTR2AABCB1ABCG2
Hydrochloric Acid SCHEMBL7287341 0.93 SLC2A1 (0.90) SLC2A1BCHEHTR2AABCB1ABCG2
Hydrochloric Acid SCHEMBL7295014 0.93 SLC2A1 (0.90) SLC2A1BCHEHTR2AABCB1ABCG2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0223598-B1 CATECHOLAMINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS THEREOF FISONS plc (GB) 1991-06-12 EP disclosed
US-4883804-A Aromatic compounds FISONS PLC (GB) 1989-11-28 US disclosed